BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

302 related articles for article (PubMed ID: 17979348)

  • 1. Accurate ab initio potential energy curve of F2. I. Nonrelativistic full valence configuration interaction energies using the correlation energy extrapolation by intrinsic scaling method.
    Bytautas L; Nagata T; Gordon MS; Ruedenberg K
    J Chem Phys; 2007 Oct; 127(16):164317. PubMed ID: 17979348
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Accurate ab initio potential energy curve of O2. I. Nonrelativistic full configuration interaction valence correlation by the correlation energy extrapolation by intrinsic scaling method.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2010 Feb; 132(7):074109. PubMed ID: 20170217
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Correlation energy extrapolation by intrinsic scaling. IV. Accurate binding energies of the homonuclear diatomic molecules carbon, nitrogen, oxygen, and fluorine.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2005 Apr; 122(15):154110. PubMed ID: 15945628
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Correlation energy extrapolation by intrinsic scaling. V. Electronic energy, atomization energy, and enthalpy of formation of water.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2006 May; 124(17):174304. PubMed ID: 16689568
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS; Zhang Y; Zhang S
    J Chem Phys; 2004 Nov; 121(19):9474-80. PubMed ID: 15538868
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The range of electron correlation between localized molecular orbitals. A full configuration interaction analysis for the NCCN molecule.
    Bytautas L; Ruedenberg K
    J Phys Chem A; 2010 Aug; 114(33):8601-12. PubMed ID: 20387786
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Correlation energy extrapolation by intrinsic scaling. I. Method and application to the neon atom.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2004 Dec; 121(22):10905-18. PubMed ID: 15634041
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Potential energy surface for interactions between two hydrogen molecules.
    Patkowski K; Cencek W; Jankowski P; Szalewicz K; Mehl JB; Garberoglio G; Harvey AH
    J Chem Phys; 2008 Sep; 129(9):094304. PubMed ID: 19044867
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.
    Varandas AJ
    Phys Chem Chem Phys; 2011 May; 13(20):9796-811. PubMed ID: 21487618
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Potential energy surface for ground-state H2S via scaling of the external correlation, comparison with extrapolation to complete basis set limit, and use in reaction dynamics.
    Song YZ; Caridade PJ; Varandas AJ
    J Phys Chem A; 2009 Aug; 113(32):9213-9. PubMed ID: 19624111
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Electronic structure analysis of the ground-state potential energy curve of Be(2).
    Schmidt MW; Ivanic J; Ruedenberg K
    J Phys Chem A; 2010 Aug; 114(33):8687-96. PubMed ID: 20507164
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Ab-initio-based global double many-body expansion potential energy surface for the electronic ground state of the ammonia molecule.
    Li YQ; Varandas AJ
    J Phys Chem A; 2010 Jun; 114(24):6669-80. PubMed ID: 20507132
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Accurate ab initio potentials at low cost via correlation scaling and extrapolation: application to CO(A 1Pi).
    Varandas AJ
    J Chem Phys; 2007 Sep; 127(11):114316. PubMed ID: 17887846
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accurate ab initio double many-body expansion potential energy surface for ground-state H2S by extrapolation to the complete basis set limit.
    Song YZ; Varandas AJ
    J Chem Phys; 2009 Apr; 130(13):134317. PubMed ID: 19355742
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Potential energy surface and MULTIMODE vibrational analysis of C2H3+.
    Sharma AR; Wu J; Braams BJ; Carter S; Schneider R; Shepler B; Bowman JM
    J Chem Phys; 2006 Dec; 125(22):224306. PubMed ID: 17176140
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Accurate pair interaction energies for helium from supermolecular Gaussian geminal calculations.
    Patkowski K; Cencek W; Jeziorska M; Jeziorski B; Szalewicz K
    J Phys Chem A; 2007 Aug; 111(31):7611-23. PubMed ID: 17550239
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Interaction between LiH molecule and Li atom from state-of-the-art electronic structure calculations.
    Skomorowski W; Pawłowski F; Korona T; Moszynski R; Żuchowski PS; Hutson JM
    J Chem Phys; 2011 Mar; 134(11):114109. PubMed ID: 21428609
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: the third-row atoms gallium through krypton.
    Deyonker NJ; Peterson KA; Wilson AK
    J Phys Chem A; 2007 Nov; 111(44):11383-93. PubMed ID: 17918918
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Correlation energy extrapolation by intrinsic scaling. II. The water and the nitrogen molecule.
    Bytautas L; Ruedenberg K
    J Chem Phys; 2004 Dec; 121(22):10919-34. PubMed ID: 15634042
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Argon pair potential at basis set and excitation limits.
    Patkowski K; Szalewicz K
    J Chem Phys; 2010 Sep; 133(9):094304. PubMed ID: 20831315
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 16.